1-[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]cyclohexanecarboxylic acid CAS Name: 1-[2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl]cyclohexanecarboxylic acid Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2(CCCCC2)C(=O)O)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC2(CCCCC2)C(=O)O)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H30N2O5S/c1-16-8-9-17(14-18(16)29(27,28)23-12-6-3-7-13-23)22-19(24)15-21(20(25)26)10-4-2-5-11-21/h8-9,14H,2-7,10-13,15H2,1H3,(H,22,24)(H,25,26)